Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 |
MW: | 306.17 |
Fraction sp3: | 0.25 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 23.55 |
cLogP: | 3.11 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z2517205487 |
Mcule: | MCULE-7704789015 |
MolPort: | MolPort-046-622-668 |
AAR-POS-d2a4d1df-24
SIM-SYN-f15aaa3a-1
0.600
GIA-UNK-7337c2f3-1
0.508
GIA-UNK-7337c2f3-4
0.500
GIA-UNK-7337c2f3-7
0.500
GIA-UNK-7337c2f3-10
0.492
GIA-UNK-7337c2f3-12
0.476
GIA-UNK-4de5abb1-1
0.468
MAK-UNK-10dfa458-9
0.467
GIA-UNK-7337c2f3-2
0.460
DAR-DIA-3e9bbd81-12
0.460
GIA-UNK-7337c2f3-5
0.453
GIA-UNK-7337c2f3-8
0.453
SAD-SAT-1f400d17-1
0.436
GIA-UNK-7337c2f3-11
0.433
DAR-DIA-3e9bbd81-11
0.426
GIA-UNK-7337c2f3-13
0.426
PEI-IMP-3d837503-2
0.421
GIA-UNK-7337c2f3-15
0.420
GIA-UNK-7337c2f3-9
0.409
GIA-UNK-7337c2f3-6
0.400
GIA-UNK-7337c2f3-3
0.400
AHN-SAT-02ef6d10-3
0.390
MAK-UNK-6ca90168-21
0.379
MAK-UNK-6ca90168-2
0.369
JAG-SYN-9c2cd0bd-3
0.365
MED-COV-4280ac29-14
0.361
MAK-UNK-10dfa458-2
0.361
ANT-OPE-c0c3e7cc-1
0.359
MAK-UNK-10dfa458-8
0.358
JAR-KUA-41bd5a3d-2
0.357
JOH-UNI-27ac80fd-26
0.356
BEN-DND-03ad4429-7
0.355
JAG-SYN-9c2cd0bd-1
0.355
MAK-UNK-10dfa458-4
0.355
MED-COV-4280ac29-6
0.349
DAV-IMP-59dd6621-23
0.349
GIA-UNK-7337c2f3-14
0.347
MAK-UNK-10dfa458-5
0.344
AHN-SAT-02ef6d10-10
0.344
BEN-DND-03ad4429-3
0.344
MAK-UNK-6ca90168-13
0.344
SAD-SAT-6b5a89f0-9
0.341
WIL-LEE-23e8b574-5
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JOO-IND-6372a4f3-4
0.338
SAD-SAT-1f400d17-6
0.333
SAD-SAT-b55127ae-1
0.333
MED-COV-4280ac29-18
0.329
AHN-SAT-02ef6d10-4
0.329
SAD-SAT-b55127ae-10
0.328
MAR-TRE-6a44bbf2-92
0.328
SAD-SAT-b55127ae-4
0.328
ANT-OPE-d972fbad-1
0.328
MAK-UNK-6ca90168-16
0.327
MED-COV-4280ac29-23
0.324
SEL-UNI-cd366922-5
0.324
GIA-UNK-20b63697-7
0.323
MAK-UNK-10dfa458-1
0.323
SAD-SAT-3a925b8b-10
0.323
MED-COV-4280ac29-21
0.322
SAD-SAT-1f400d17-4
0.321
MAK-UNK-10dfa458-18
0.317
AHN-SAT-02ef6d10-7
0.315
JOH-UNI-27ac80fd-34
0.313
MAK-UNK-10dfa458-10
0.313
MAT-POS-b5746674-116
0.312
AHN-SAT-02ef6d10-6
0.312
MAT-POS-4e253971-2
0.311
MED-COV-4280ac29-32
0.310
SAD-SAT-f0a2747f-6
0.310
TOB-UNK-c2aba166-2
0.309
GIA-UNK-20b63697-1
0.309
GIA-UNK-c4371e97-2
0.308
SAD-SAT-b55127ae-5
0.308
GIA-UNK-20b63697-2
0.306
SAD-SAT-1f400d17-10
0.304
MED-COV-4280ac29-7
0.301
GIA-UNK-20b63697-8
0.301
JAN-GHE-6413aaf8-5
0.301
GIA-UNK-20b63697-6
0.300
GIA-UNK-4de5abb1-4
0.297
GIA-UNK-4de5abb1-5
0.297
MAK-UNK-10dfa458-6
0.297
MAK-UNK-212f693e-24
0.297
SEL-UNI-cd366922-2
0.296
JAN-GHE-6413aaf8-9
0.295
JAN-GHE-4287bd1a-1
0.294
MAK-UNK-df1a028e-9
0.294
SAD-SAT-f0a2747f-9
0.290
GIA-UNK-20b63697-3
0.288
GIA-UNK-20b63697-4
0.288
GIA-UNK-20b63697-5
0.288
SAD-SAT-1f400d17-9
0.287
SAD-SAT-2ceae68f-8
0.286
SAD-SAT-581007d4-8
0.284
GIA-UNK-4de5abb1-2
0.282
MAK-UNK-10dfa458-7
0.278
DAV-IMP-59dd6621-9
0.277
MAK-UNK-6ca90168-11
0.277
SAD-SAT-edc8a235-6
0.277
GIA-UNK-c4371e97-3
0.276